Theoretical Study of Half-Doped Models for Manganites: Fragility of the CE Phase with Disorder, Two Types of Colossal Magnetoresistances, and Charge-Ordered States for Electron-Doped Materials

TL;DR

This study uses Monte Carlo simulations to explore the phase diagram and properties of half-doped manganites, revealing new phases, the impact of disorder, and conditions for colossal magnetoresistance, with results aligning with recent experimental findings.

Contribution

It provides a comprehensive phase diagram for half-doped manganites, identifying novel states and analyzing the effects of disorder and electron doping on charge and magnetic order.

Findings

Discovery of a ferromagnetic charge-ordered phase consistent with experiments.

Charge disproportionation delta is smaller than previously assumed, aligning with recent data.

Colossal magnetoresistance occurs near phase transitions between insulating and metallic states.

Abstract

A comprehensive analysis of half-doped manganites is presented using Monte Carlo simulations applied to the double-exchange model with cooperative Jahn-Teller lattice distortions in two dimensions. A variety of novel results are reported: (i) The phase diagram is established in the lambda-J_ AF plane, with lambda the electron-phonon coupling and J_AF the antiferromagnetic exchange between classical t_2g spins. The results include standard phases, such as the CE-insulating and FM-metallic regimes, but they also unveil novel states, such as a ferromagnetic charge-ordered (CO) orbital-ordered phase compatible with recent experimental results by Loudon et al. (ii) For realistic couplings, it was observed that the charge disproportionation delta of the CO phase is far from the widely accepted extreme limit delta=0.5 of a 3+/4+ charge separation. A far smaller delta appears more realistic, in agreement with recent experiments by Garcia et al. and Daoud-Aladine it et al. (iii) Colossal magnetoresistance (CMR) effects are found in calculations of cluster resistances using the Landauer formalism. This occurs near the ubiquitous first-order phase transitions between the insulating and metallic states. (iv) The CE-state is found to be (very sensitive to disorder) since its long-range order rapidly disappears when quenched-disorder is introduced, contrary to the FM state which is more robust. This is also in qualitative agreement with recent experiments by Akahoshi et al. and Nakajima et al. (v) The phase diagram in the half-doped (electron doping) regime is briefly discussed as well. A charge-ordered state is found which is the analog of the x=0.5 CE phase. It contains a 3+/2+ charge arrangement at large lambda.